Compound Detail
CHEMBL147379
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Basic Information
| ChEMBL ID | CHEMBL147379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXKQKYXTPQRLBB-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.40
ALogP
5
HBA
1
HBD
53.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.61
Ki 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 8.14 | 8.14 | 7.3 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | EC50 | 6.61 | 6.61 | 247.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | EC50 | 6.59 | 6.59 | 258.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5 CHEMBL5112 | EC50 | 6.54 | 6.54 | 291.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-3 CHEMBL3026 | EC50 | 6.41 | 6.41 | 394.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-2 | 2 |
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-3 | 2 |
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-5 | 2 |
| 12408715 | 10.1021/jm0202019 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine